3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol

C9H18O3 — CID 130988152

IUPAC3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol
SMILESCCOCC1(O)COC(C)(C)C1
InChIInChI=1S/C9H18O3/c1-4-11-6-9(10)5-8(2,3)12-7-9/h10H,4-7H2,1-3H3
InChIKeyDHTITOJIYVDAGS-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.95
Rot. Bonds3

About 3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol

3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol (PubChem CID 130988152) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol.

Molecular Properties

Compound Name3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol
PubChem CID130988152
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol
SMILESCCOCC1(O)COC(C)(C)C1
InChIInChI=1S/C9H18O3/c1-4-11-6-9(10)5-8(2,3)12-7-9/h10H,4-7H2,1-3H3
InChIKeyDHTITOJIYVDAGS-UHFFFAOYSA-N
XLogP0.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58975653
[4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
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1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol
CID 79567542
2,2-dimethyloxirane;methanol
CID 161373463
ethyl 2-[(4S)-4-hydroxy-2,2-dimethyloxan-4-yl]acetate
CID 793360
(3-amino-5,5-dimethyloxolan-3-yl)methanol
CID 130943268
3-(ethoxymethyl)-1-methylpyrrolidin-3-ol
CID 79567375
(3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride
CID 170910308
[(2R,5R)-5-(acetyloxymethyl)-2,5-bis(ethoxymethyl)-1,4-dioxan-2-yl]methyl acetate
CID 100954975
2-(ethoxymethyl)-3-ethyl-2-methyloxetane
CID 175809150
4-(ethoxymethyl)-1-ethylazepan-4-ol
CID 79568100
4-(ethoxymethyl)-2-propan-2-yloxan-4-ol
CID 79567400

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol?
The IUPAC name of 3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol (CID 130988152) is 3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol.
What is the SMILES notation for 3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol?
The canonical SMILES for 3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol is CCOCC1(O)COC(C)(C)C1.
What is the InChIKey of 3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol?
The InChIKey is DHTITOJIYVDAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-11-6-9(10)5-8(2,3)12-7-9/h10H,4-7H2,1-3H3.
What are the key properties of 3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol?
3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol has a molecular weight of 174.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol is sourced from PubChem (CID 130988152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).